General Information of the Compound
| Compound ID |
CP0440751
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| Compound Name |
N-(4-methoxyphenyl)-6-nitro-2-pyridin-3-ylquinazolin-4-amine
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| Structure |
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| Formula |
C20H15N5O3
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| Molecular Weight |
373.372
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| Canonical SMILES |
COc1ccc(Nc2nc(nc3ccc(cc23)[N+]([O-])=O)-c2cccnc2)cc1
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| InChI |
InChI=1S/C20H15N5O3/c1-28-16-7-4-14(5-8-16)22-20-17-11-15(25(26)27)6-9-18(17)23-19(24-20)13-3-2-10-21-12-13/h2-12H,1H3,(H,22,23,24)
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| InChIKey |
NHRFTZLPNSUWGW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2